keramamide A
| Internal ID | 9cb91b61-3a9e-41c6-b9d4-67214334b6e8 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | 2-[[3-benzyl-6-[(6-chloro-5-hydroxy-1H-indol-3-yl)methyl]-7-methyl-9,12-bis(2-methylpropyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-phenylpropanoic acid |
| SMILES (Canonical) | CC(C)CC1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NCCCCC(C(=O)N1)NC(=O)NC(CC2=CC=CC=C2)C(=O)O)CC3=CC=CC=C3)CC4=CNC5=CC(=C(C=C54)O)Cl)C)CC(C)C |
| SMILES (Isomeric) | CC(C)CC1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NCCCCC(C(=O)N1)NC(=O)NC(CC2=CC=CC=C2)C(=O)O)CC3=CC=CC=C3)CC4=CNC5=CC(=C(C=C54)O)Cl)C)CC(C)C |
| InChI | InChI=1S/C49H63ClN8O9/c1-28(2)20-37-45(62)55-39(21-29(3)4)47(64)58(5)41(24-32-27-52-36-26-34(50)42(59)25-33(32)36)46(63)54-38(22-30-14-8-6-9-15-30)43(60)51-19-13-12-18-35(44(61)53-37)56-49(67)57-40(48(65)66)23-31-16-10-7-11-17-31/h6-11,14-17,25-29,35,37-41,52,59H,12-13,18-24H2,1-5H3,(H,51,60)(H,53,61)(H,54,63)(H,55,62)(H,65,66)(H2,56,57,67) |
| InChI Key | OCMXOQFOMBDMCH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C49H63ClN8O9 |
| Molecular Weight | 943.50 g/mol |
| Exact Mass | 942.4406533 g/mol |
| Topological Polar Surface Area (TPSA) | 251.00 Ų |
| XlogP | 6.60 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.95% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.37% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.98% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.09% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.79% | 96.09% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 95.15% | 97.64% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.58% | 83.82% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 94.42% | 98.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 94.03% | 92.62% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 93.12% | 88.42% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.53% | 99.15% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 92.52% | 90.08% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 91.70% | 90.71% |
| CHEMBL4072 | P07858 | Cathepsin B | 90.92% | 93.67% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 90.39% | 95.34% |
| CHEMBL3202 | P48147 | Prolyl endopeptidase | 89.98% | 90.65% |
| CHEMBL3837 | P07711 | Cathepsin L | 89.81% | 96.61% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.50% | 89.62% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 88.49% | 95.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.53% | 93.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.15% | 95.56% |
| CHEMBL1741221 | Q9Y4P1 | Cysteine protease ATG4B | 86.06% | 87.50% |
| CHEMBL2083 | P15090 | Fatty acid binding protein adipocyte | 85.72% | 95.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.15% | 90.00% |
| CHEMBL4644 | P41968 | Melanocortin receptor 3 | 85.09% | 99.52% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.94% | 95.93% |
| CHEMBL2327 | P21452 | Neurokinin 2 receptor | 84.59% | 98.89% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 83.94% | 98.24% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.40% | 89.50% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 83.40% | 88.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.11% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.05% | 97.14% |
| CHEMBL1808 | P12821 | Angiotensin-converting enzyme | 82.74% | 93.39% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 82.45% | 95.38% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 82.19% | 92.67% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 82.18% | 94.23% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 81.58% | 80.71% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.48% | 93.56% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 81.40% | 97.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.39% | 95.89% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.33% | 96.90% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.68% | 89.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.41% | 93.99% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.40% | 97.50% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.06% | 100.00% |
| CHEMBL1075317 | P61964 | WD repeat-containing protein 5 | 80.05% | 96.33% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 72744759 |
| LOTUS | LTS0073668 |
| wikiData | Q105189461 |